Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00041B, Paper
Open Access Open Access
Hong-Zhou Ye, Timothy C. Berkelbach
The adsorption of CO on the surface of MgO has long been a model problem in surface chemistry. Here, we report periodic Gaussian-based calculations for this problem using second-order perturbation...
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An Efficient Pyrrolysyl-tRNA Synthetase for Economical Production of MeHis-containing Enzymes

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00019F, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Amy Elizabeth Hutton, Jake Foster, James E. J. Sanders, Christopher J Taylor, Stefan A Hoffmann, Yizhi Cai, Sarah Louise Lovelock, Anthony Green
Genetic code expansion has emerged as a powerful tool in enzyme design and engineering, providing new insights into sophisticated catalytic mechanisms and enabling the development of enzymes with new catalytic...
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Identification of reaction intermediates in the decomposition of formic acid on Pd

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00174A, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jan Fingerhut, Loïc Lecroart, Michael Schwarzer, Stefan Hörandl, Dmitriy Borodin, Alexander Kandratsenka, Alec M Wodtke, Daniel J Auerbach, Theofanis N. Kitsopoulos
Uncovering the role of reaction intermediates is crucial to developing an understanding of heterogeneous catalysis because catalytic reactions often involve complex networks of elementary steps. Unfortunately, the short lifetimes and...
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Tuning peroxidase activity of artificial P450 peroxygenase by engineering redox-sensitive residues

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00008K, Paper
Fengjie Jiang, Zihan Wang, Zhiqi Cong
Cytochrome P450 monooxygenases (P450s) are well recognized as versatile bio-oxidation catalysts. However, the catalytic functions of P450s are highly dependent on NAD(P)H and the redox partner proteins. Our group has...
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A graphene oxide decorated BZT–CNF composite through hybrid microwave processing: an advanced multifunctional material for superior microwave shielding applications

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J. Mater. Chem. A, 2024, 12,6928-6946
DOI: 10.1039/D3TA06292A, Paper
Chinmay Chandan Parhi, Avanish Babu Thirumalasetty, Ajit Raymond James, Yogesh Kumar Choukiker, Madhuri Wuppulluri
A new composite with two-dimensional graphene oxide decoration is designed through microwave sintering for efficient microwave attenuation.
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Wearable flexible pressure sensors: an intriguing design towards microstructural functionalization

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J. Mater. Chem. A, 2024, 12,6826-6874
DOI: 10.1039/D3TA05568J, Review Article
Yanru Li, Dawei Jiang, Yulong An, Wenshuai Chen, Zhanhua Huang, Bo Jiang
Microstructures can endow flexible pressure sensors with high sensitivity and a wide linear sensing range, ensuring the comprehensive sensing performance of medical monitoring and intelligent robots.
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Extremely efficient and stable hydrogen evolution by a Pt/NiOx composite film deposited on a nickel foam using a mixed metal-imidazole casting method

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J. Mater. Chem. A, 2024, 12,7094-7106
DOI: 10.1039/D3TA06815C, Paper
Zaki N. Zahran, Yuta Tsubonouchi, Debraj Chandra, Tomoki Kanazawa, Shunsuke Nozawa, Eman A. Mohamed, Norihisa Hoshino, Masayuki Yagi
Extremely efficient and robust electrocatalysts for the hydrogen evolution reaction (HER) were developed with the lowest overpotentials of only η10 = 4.2 and η100 = 26.4 mV among the state-of-the-art HER electrocatalysts under alkaline conditions.
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Adsorptive molecular sieving of aromatic hydrocarbons over cyclic aliphatic hydrocarbons via an intrinsic/extrinsic approach

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J. Mater. Chem. A, 2024, 12,6875-6879
DOI: 10.1039/D3TA06602A, Communication
Open Access Open Access
Gengwu Zhang, Xuanfu Zhu, Lukman O. Alimi, Xin Liu, Aiping Chen, Basem M. Moosa, Niveen M. Khashab
An efficient adsorptive molecular sieving strategy to separate aromatic and cyclic aliphatic hydrocarbons via an intrinsic/extrinsic approach.
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Sulfur-doped cobalt molybdenum oxide with a hydrangea-like structure for bi-functionally efficient overall water splitting

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J. Mater. Chem. A, 2024, 12,6983-6995
DOI: 10.1039/D3TA07380G, Paper
Open Access Open Access
Jie Dong, Saiyi Chen, Cuncai Lv, Mark G. Humphrey, Chi Zhang, Zhipeng Huang
Sulfur-doped cobalt molybdenum oxide with a hydrangea-like structure shows outstanding electrocatalytic performance for bi-functionally efficient water splitting.
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Regulating the solvation structure of an acetonitrile-based electrolyte for Li/NMC811 batteries cycled at low temperature

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J. Mater. Chem. A, 2024, 12,6947-6954
DOI: 10.1039/D3TA07347E, Paper
Lin Liu, Zulipiya Shadike, Xinyin Cai, Mengwei Hong, Yue Gao, Shuiyun Shen, Junliang Zhang
An acetonitrile-based localized high concentration electrolyte has been developed for low temperature lithium metal batteries. The corresponding Li/NMC811 cell delivers a high capacity of 113 mA h g−1 at −40 °C with 85.5% capacity retention.
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